3-amino-4-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethylbenzenesulfonamide

C16H24N2O2S — CID 158479965

IUPAC3-amino-4-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CC2CC3CCC2C3)c(N)c1
InChIInChI=1S/C16H24N2O2S/c1-2-18-21(19,20)15-6-5-13(16(17)10-15)9-14-8-11-3-4-12(14)7-11/h5-6,10-12,14,18H,2-4,7-9,17H2,1H3
InChIKeyHHKBXRVTYUQKDV-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.55
Rot. Bonds5

About 3-amino-4-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethylbenzenesulfonamide

3-amino-4-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethylbenzenesulfonamide (PubChem CID 158479965) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-amino-4-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethylbenzenesulfonamide
PubChem CID158479965
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name3-amino-4-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CC2CC3CCC2C3)c(N)c1
InChIInChI=1S/C16H24N2O2S/c1-2-18-21(19,20)15-6-5-13(16(17)10-15)9-14-8-11-3-4-12(14)7-11/h5-6,10-12,14,18H,2-4,7-9,17H2,1H3
InChIKeyHHKBXRVTYUQKDV-UHFFFAOYSA-N
XLogP2.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzenesulfonamide
CID 81441291
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416445
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-4-methylbenzenesulfonamide
CID 63689047
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide
CID 62977562
4-(2-adamantylmethyl)-3-amino-N-tert-butylbenzenesulfonamide
CID 160677005
3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79352793
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide
CID 40597436
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
N-[4-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylsulfamoyl]phenyl]acetamide
CID 7309353
4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide
CID 82902643

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethylbenzenesulfonamide (CID 158479965) is 3-amino-4-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(CC2CC3CCC2C3)c(N)c1.
What is the InChIKey of 3-amino-4-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethylbenzenesulfonamide?
The InChIKey is HHKBXRVTYUQKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-18-21(19,20)15-6-5-13(16(17)10-15)9-14-8-11-3-4-12(14)7-11/h5-6,10-12,14,18H,2-4,7-9,17H2,1H3.
What are the key properties of 3-amino-4-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethylbenzenesulfonamide?
3-amino-4-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethylbenzenesulfonamide has a molecular weight of 308.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-bicyclo[2.2.1]heptanylmethyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 158479965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).